Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.31 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3812065 | 0.97 | CYP2C19 (0.47) | CYP2C19KEAP1NFE2L2HRH3HRH4 | |
| SCHEMBL3820405 | 0.89 | CYP2C19 (0.42) | CYP2C19KEAP1NFE2L2HRH3HRH4 | |
| SCHEMBL4117844 | 0.88 | CYP2C19 (0.47) | CYP2C19KEAP1NFE2L2HRH3RORC | |
| SCHEMBL4124782 | 0.87 | CYP2C19 (0.46) | CYP2C19KEAP1NFE2L2HRH3RORC | |
| SCHEMBL4139046 | 0.81 | CYP2C19 (0.41) | CYP2C19KEAP1NFE2L2RORCKMT2A | |
| SCHEMBL4129860 | 0.80 | CYP2C19 (0.61) | CYP2C19KEAP1NFE2L2HRH3ALDH1A1 | |
| SCHEMBL4877590 | 0.73 | CYP2C19 (0.51) | CYP2C19KEAP1NFE2L2HRH3KMT2A | |
| SCHEMBL2166315 | 0.73 | ALDH1A1 (0.49) | CYP2C19KEAP1NFE2L2HRH3HRH4 | |
| SCHEMBL4878194 | 0.73 | ALDH1A1 (0.47) | CYP2C19KEAP1NFE2L2HRH3HRH4 | |
| SCHEMBL4876866 | 0.72 | ALDH1A1 (0.46) | CYP2C19KEAP1NFE2L2HRH3HRH4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8278313-B2 | Macrocyclic spiro pyrimidine derivatives | ABBOTT LABORATORIES (US) | 2012-10-02 | — | — | US | disclosed |
| US-8268846-B2 | Amino heterocyclic linked pyrimidine derivatives | ABBOTT LABORATORIES (US) | 2012-09-18 | — | — | US | disclosed |
| US-20100016344-A1 | AMINO HETEROCYCLIC LINKED PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-01-21 | — | — | US | disclosed |
| US-20090233904-A1 | Macrocyclic Spiro Pyrimidine Derivatives | ABBOTT LABORATORIES (US) | 2009-09-17 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100016344-A1 | AMINO HETEROCYCLIC LINKED PYRIMIDINE DERIVATIVES | DPYD, TYMS, UMPS | CYP2C19 1237/4885KEAP1 382/4885NFE2L2 520/4885 |
| US-20090233904-A1 | Macrocyclic Spiro Pyrimidine Derivatives | DPYD, TYMS, TYMP | CYP2C19 1385/4885KEAP1 551/4885NFE2L2 1227/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.